Basic information
- Standard SMILES
CC(C)(C)OC(=O)N1CCC(C(=O)NCCn2cc3c(-c4ccc(F)cc4)c(-c4ccncc4)c(-c4ccc(F)cc4)nc3n2)CC1- InChIKey
PIIHETOXUUTXQH-UHFFFAOYSA-N- Molecular formula
- C36H36F2N6O3
- Average molar mass
- 638.7 g/mol
Names & identifiers
- Preferred name
- N-[2-[4,6-Bis(4-fluorophenyl)-5-(4-pyridyl)pyrazolo[3,4-b]pyridin-2-yl]ethyl]-1-(tert-butoxycarbonyl)piperidine-4-carboxamide
- IUPAC
- tert-butyl 4-[2-[4,6-bis(4-fluorophenyl)-5-pyridin-4-ylpyrazolo[3,4-b]pyridin-2-yl]ethylcarbamoyl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL2925785PIIHETOXUUTXQH-UHFFFAOYSA-NN-[2-[4,6-Bis(4-fluorophenyl)-5-(4-pyridyl)pyrazolo[3,4-b]pyridin-2-yl]ethyl]-1-(tert-butoxycarbonyl)piperidine-4-carboxamide
Database identifiers
- PubChem CID
- 68443387
Properties
Computed structural properties
- XLogP
- 5.5
- Topological polar surface area
- 102 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 9
- Heavy atoms
- 47
- Formal charge
- 0
- Complexity
- 1,030
Related reactions
3 records
Compound notes
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